REMARK Name = BDB062523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.199 -0.121 0.975 0.00 0.00 +0.250 C ATOM 2 N LIG 1 1.519 -0.402 0.677 0.00 0.00 -0.279 N ATOM 3 H LIG 1 1.785 -1.377 0.611 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.295 0.999 0.999 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 -1.264 -3.430 1.903 0.00 0.00 +0.090 A ATOM 6 N LIG 1 -2.384 -2.705 1.513 0.00 0.00 -0.312 N ATOM 7 C LIG 1 -1.976 -1.425 1.127 0.00 0.00 +0.062 A ATOM 8 C LIG 1 -2.987 -0.514 0.679 0.00 0.00 +0.073 A ATOM 9 C LIG 1 -4.278 -0.905 0.624 0.00 0.00 +0.135 A ATOM 10 C LIG 1 -4.673 -2.231 1.061 0.00 0.00 +0.064 A ATOM 11 C LIG 1 -0.601 -1.320 1.265 0.00 0.00 +0.063 A ATOM 12 C LIG 1 -3.731 -3.090 1.482 0.00 0.00 +0.095 A ATOM 13 C LIG 1 -0.168 -2.588 1.752 0.00 0.00 +0.044 A BRANCH 5 15 ATOM 14 C LIG 1 0.061 -5.406 2.775 0.00 0.00 +0.093 C ATOM 15 C LIG 1 -1.272 -4.808 2.382 0.00 0.00 +0.177 C ATOM 16 O LIG 1 -2.287 -5.496 2.480 0.00 0.00 -0.291 OA ENDBRANCH 5 15 BRANCH 9 17 ATOM 17 O LIG 1 -5.363 -0.094 0.247 0.00 0.00 -0.425 OA BRANCH 17 18 ATOM 18 C LIG 1 -5.217 0.832 -0.756 0.00 0.00 +0.318 C ATOM 19 O LIG 1 -4.250 0.938 -1.500 0.00 0.00 -0.250 OA BRANCH 18 20 ATOM 20 C LIG 1 -6.479 1.698 -0.860 0.00 0.00 +0.060 C ATOM 21 C LIG 1 -6.217 2.866 -1.823 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -7.626 0.839 -1.405 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -6.846 2.271 0.517 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 24 ATOM 24 C LIG 1 2.552 0.510 0.363 0.00 0.00 +0.070 A ATOM 25 C LIG 1 3.805 -0.042 0.050 0.00 0.00 +0.152 A ATOM 26 F LIG 1 3.922 -1.383 0.076 0.00 0.00 -0.203 F ATOM 27 C LIG 1 4.906 0.757 -0.288 0.00 0.00 +0.022 A ATOM 28 C LIG 1 4.727 2.147 -0.298 0.00 0.00 +0.017 A ATOM 29 C LIG 1 3.485 2.725 0.016 0.00 0.00 -0.020 A ATOM 30 C LIG 1 2.402 1.897 0.346 0.00 0.00 +0.032 A BRANCH 27 31 ATOM 31 C LIG 1 6.196 0.164 -0.607 0.00 0.00 +0.022 A ATOM 32 C LIG 1 7.170 0.746 -1.393 0.00 0.00 +0.116 A ATOM 33 N LIG 1 8.209 -0.139 -1.443 0.00 0.00 -0.274 N ATOM 34 C LIG 1 9.459 0.025 -2.143 0.00 0.00 +0.172 C ATOM 35 N LIG 1 7.984 -1.266 -0.747 0.00 0.00 -0.179 NA ATOM 36 C LIG 1 6.760 -1.083 -0.245 0.00 0.00 +0.143 A ENDBRANCH 27 31 BRANCH 29 37 ATOM 37 C LIG 1 3.328 4.223 -0.003 0.00 0.00 +0.191 C BRANCH 37 38 ATOM 38 O LIG 1 3.569 4.717 -1.313 0.00 0.00 -0.390 OA ATOM 39 H LIG 1 3.109 4.122 -1.930 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 2 24 TORSDOF 9